CAS 269410-03-9 Phenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone (HCID 12158596)

기본 정보

CAS: 269410-03-9
표준 SMILES: CC1(C)OB(c2ccc(C(=O)c3ccccc3)cc2)OC1(C)C
InChIKey: AKQXNDKEDAWVMZ-UHFFFAOYSA-N
분자식: C19H21BO3
평균 분자량: 308.2 g/mol
단동위원소 질량: 308.1583747

이름 및 식별자

우선 이름: Phenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
IUPAC: phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
현지명: 4-(페닐카르보닐)페닐보론산,피나콜에스테르
영어명: 4-(Phenylcarbonyl)phenylboronic acid, pinacol ester
분자식: C19H21BO3
분자량: 308.18

이름 및 동의어

269410-03-9phenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanonephenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanoneDTXSID50478836RefChem:861690DTXCID504296464-(PHENYLCARBONYL)PHENYLBORONIC ACID, PINACOL ESTERMFCD067956532-(4-BENZOYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanoneC19H21BO3phenyl)methanone

이름 더 보기

4-(페닐카르보닐)페닐보론산,피나콜에스테르4-Benzoylbenzeneboronic acid pinacol esterphenyl(4-(4,4,5,5-tetramethyl -1,3,2- dioxaborolan-2-yl) phenyl)methanoneMethanone, phenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-PHENYL-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-2-YL)-PHENYL]-METHANONE

4-(Phenylcarbonyl)phenylboronic acid pinacol esterdioxaborolan-2-yl)SCHEMBL5800648AKQXNDKEDAWVMZ-UHFFFAOYSA-Nphenyl(4-(4,4,5,5-tetramethylUKA41003AKOS015960135AB29175

물성

구조 계산 물성

극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 23
형식 전하: 0
복잡도: 416

물리화학적 성질

녹는점: 75 · 75-76 °C
끓는 점: 432.6 · 432.6±28.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C19H21BO3/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)17(21)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKey: AKQXNDKEDAWVMZ-UHFFFAOYSA-N
SMILES: B3(OC(C(O3)(C)C)(C)C)c1ccc(cc1)C(=O)c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 3건

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Chronic 4 (100%)

안전 데이터

wgk: 3
Hazard Classifications: Aquatic Chronic 4
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사29 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

郑州德元凯化工有限公司17837139533 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

화합물 노트

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4-(페닐카르보닐)페닐보론산,피나콜에스테르